Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis

Chemistry - A European Journal

Volumn 8, Issue 18, 2002, Pages 4216-4227

  Bruschi, Maurizio ^a   Giuffreda, Maria Grazia ^a   Lüthi, Hans Peter ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Ab initio calculations; Conjugation; Delocalization energy; Molecular devices; Natural bond orbital analysis

Indexed keywords

ELECTRONIC STRUCTURE; ETHYLENE; ISOMERS; MOLECULAR ORIENTATION; POLYMERS;

PHOTONIC PROPERTIES;

CHEMICAL ANALYSIS;

3 ETHYNYLBUT 3 ENE 1 YNE; 3,4 DIETHYNYLHEX 3 ENE 1,5 DIYNE; ETHYLENE DERIVATIVE; HEX 3 ENE 1,5 DIYNE; POLYMER; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; ELECTRON; ELECTRON TRANSPORT;

EID: 0037120145     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20020916)8:18<4216::AID-CHEM4216>3.0.CO;2-8     Document Type: Article

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